Digoxigenin monodigitoxoside
TL;DR: Digoxigenin monodigitoxoside (CAS 5352-63-6) is a chemical compound with molecular formula C29H44O8 and molecular weight 520.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Digoxigenin monodigitoxoside, digoxin, Digoxigenin-mono(digitoxoside), Monodigitoxoside, Digoxigeninmonodigitoxoside
| Molecular Formula | C29H44O8 |
|---|---|
| Molecular Weight | 520.30 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.3036 |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 5352-63-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O |
| InChIKey | JFSXBMIFXZFKHD-ZDDLGXCGSA-N |
Product Overview
Digoxigenin monodigitoxoside (CAS 5352-63-6), with molecular formula C29H44O8 and molecular weight 520.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Digoxigenin monodigitoxoside
Property Insights of Digoxigenin monodigitoxoside
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digoxigenin monodigitoxoside. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Digoxigenin monodigitoxoside. Following Lipinski's Rule of Five, Digoxigenin monodigitoxoside has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digoxigenin monodigitoxoside?
The CAS number of Digoxigenin monodigitoxoside is 5352-63-6.
What is the molecular formula of Digoxigenin monodigitoxoside?
The molecular formula of Digoxigenin monodigitoxoside is C29H44O8.
What is the molecular weight of Digoxigenin monodigitoxoside?
The molecular weight of Digoxigenin monodigitoxoside is 520.30 g/mol.
Where can I buy Digoxigenin monodigitoxoside?
You can request a quote for Digoxigenin monodigitoxoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin monodigitoxoside?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin monodigitoxoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.